(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one

C13H17N3OS — CID 59386803

IUPAC(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(C3CC3)cs2)N=C1N
InChIInChI=1S/C13H17N3OS/c1-13(6-11(17)16(2)12(14)15-13)10-5-9(7-18-10)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15)/t13-/m0/s1
InChIKeyKFEJALRYXYLWPU-ZDUSSCGKSA-N
MW263.37 g/mol
LogP2.02
Rot. Bonds2

About (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59386803) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59386803
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(C3CC3)cs2)N=C1N
InChIInChI=1S/C13H17N3OS/c1-13(6-11(17)16(2)12(14)15-13)10-5-9(7-18-10)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15)/t13-/m0/s1
InChIKeyKFEJALRYXYLWPU-ZDUSSCGKSA-N
XLogP2.02
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 59386803) is (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cc(C3CC3)cs2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is KFEJALRYXYLWPU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(6-11(17)16(2)12(14)15-13)10-5-9(7-18-10)8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15)/t13-/m0/s1.
What are the key properties of (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 263.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59386803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).